N-[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-3-methyl-phenyl]benzenesulfonamide

Systemtic Name: N-[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-3-methyl-phenyl]benzenesulfonamide Openeye Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-methyl-phenyl]benzenesulfonamide CAS Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-3-methylphenyl]benzenesulfonamide IUPAC Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-methylphenyl]benzenesulfonamide Traditional Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-methyl-phenyl]benzenesulfonamide Formula: C26H31N7O3S MolecularWeight: 521.63444

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C)NC5CCC(CC5)O

InChI

InChI=1S/C26H31N7O3S/c1-3-33-16-27-23-24(30-26(31-25(23)33)28-18-9-12-20(34)13-10-18)29-22-14-11-19(15-17(22)2)32-37(35,36)21-7-5-4-6-8-21/h4-8,11,14-16,18,20,32,34H,3,9-10,12-13H2,1-2H3,(H2,28,29,30,31)